SCHEMBL6954012

SCHEMBL6954012

CCOC(=O)CC1CCc2cc(NC(=O)c3ccc(C(=N)NC(=O)OC)cc3)ccc2O1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.59
ITGA2B P08514 10/20 0.59
RAB9A P51151 3/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 1/20 0.37
OPRK1 P41145 1/20 0.37
TMPRSS2 O15393 2/20 0.37
MCHR1 Q99705 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6957424 0.96 ITGB3 (0.59) ITGB3ITGA2BRAB9AMAPTNPC1
SCHEMBL6959301 0.93 ITGB3 (0.56) ITGB3ITGA2BRAB9AMAPTNPC1
SCHEMBL6954243 0.91 ITGB3 (0.60) ITGB3ITGA2BRAB9AMAPTNPC1
Hydrochloric Acid SCHEMBL6949257 0.90 ITGB3 (0.60) ITGB3ITGA2BRAB9AMAPTNPC1
Hydrochloric Acid SCHEMBL7076499 0.90 ITGB3 (0.59) ITGB3ITGA2BRAB9AMAPTNPC1
SCHEMBL6959161 0.89 ITGB3 (0.49) ITGB3ITGA2BRAB9ANPC1KDM4E
SCHEMBL8541193 0.89 ITGB3 (0.74) ITGB3ITGA2BRAB9ANPC1PKM
Hydrochloric Acid SCHEMBL6955140 0.88 ITGB3 (0.62) ITGB3ITGA2BRAB9AMAPTNPC1
Hydrochloric Acid SCHEMBL6950239 0.88 ITGB3 (0.57) ITGB3ITGA2BRAB9AMAPTNPC1
Hydrochloric Acid SCHEMBL6950435 0.88 ITGB3 (0.75) ITGB3ITGA2BRAB9AMAPTNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130342-A1 Glycoprotein llb/llla antagonists FISHER MATTHEW J (US) 2003-07-10 US disclosed
EP-0804431-B9 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 2003-01-02 EP disclosed
EP-0804431-B1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 2002-07-24 EP disclosed
US-6020362-A ANTICOAGULANTS ELI LILLY AND COMPANY (US) 2000-02-01 US disclosed
US-5731324-A Glycoprotein IIb/IIIa antagonists ELI LILLY AND COMPANY (US) 1998-03-24 US disclosed
WO-1996022288-A1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-07-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030130342-A1 Glycoprotein llb/llla antagonists SELL, SELPLG, LY96 ITGB3 653/4885ITGA2B 294/4885RAB9A 2000/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.